1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol

C28H19N5O2 — CID 90949166

IUPAC1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol
SMILESOc1c(-c2c[nH]c3ccccc23)c(-c2cccc3cccnc23)n(-c2ccc3nc[nH]c3c2)c1O
InChIInChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,30,34-35H,(H,31,32)
InChIKeyDCLSRMBZIZTXFG-UHFFFAOYSA-N
MW457.49 g/mol
LogP6.13
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol

1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol (PubChem CID 90949166) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol
PubChem CID90949166
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC Name1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol
SMILESOc1c(-c2c[nH]c3ccccc23)c(-c2cccc3cccnc23)n(-c2ccc3nc[nH]c3c2)c1O
InChIInChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,30,34-35H,(H,31,32)
InChIKeyDCLSRMBZIZTXFG-UHFFFAOYSA-N
XLogP6.13
TPSA102.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 56.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione
CID 123676882
1-(3H-benzimidazol-5-yl)-4-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2,3-diol
CID 91144999
1-(3H-benzimidazol-5-yl)-5-(2,4-dichlorophenyl)-4-methylpyrrole-2,3-diol
CID 91345204
1-(3H-benzimidazol-5-yl)-5-(3,5-dibromo-4-hydroxyphenyl)-4-ethylpyrrole-2,3-diol
CID 90757569
3-(3H-benzimidazol-5-yl)-5-hydroxy-4-(4-phenylphenyl)-1H-imidazole-2-thione
CID 91266966
1-(3H-benzimidazol-5-yl)-5-(5-chloro-2-hydroxyphenyl)-4-ethylpyrrole-2,3-diol
CID 91080657
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
2-[2-(1H-indol-3-yl)phenyl]quinazoline
CID 141386701
N-(3H-benzimidazol-5-yl)-N'-quinolin-8-yloxamide
CID 108529264
1-[1-(3H-benzimidazol-5-yl)-2-(3-bromo-4-hydroxyphenyl)-4,5-dihydroxypyrrol-3-yl]ethanone
CID 90756435
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298
2-(3H-benzimidazol-5-yl)phenol
CID 162260962

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol (CID 90949166) is 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol is Oc1c(-c2c[nH]c3ccccc23)c(-c2cccc3cccnc23)n(-c2ccc3nc[nH]c3c2)c1O.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol?
The InChIKey is DCLSRMBZIZTXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,30,34-35H,(H,31,32).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol?
1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol has a molecular weight of 457.49 g/mol, XLogP of 6.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol is sourced from PubChem (CID 90949166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).